Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrin; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF408303
Synonyms: 4-Aminoantipyrin, 4-Aminoantipyrine, 4-Amino-1,5-dimethyl-2-phenylpyrazol-3-one
Total mass: 203.2399
Formula: H13 C11 O1 N3
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 85.076, 146.0601, 159.0917, 189.0898,
Processing time: 0:00:02.374815
Results for the quried mass "83.0604"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.028 | 5 | 2 | C1,C8,C10,C11,N14,O15 |
| C4O1N1 | 0.028 | 5 | 0 | C1,C8,C10,C11,N12,O15 |
| C4O1N1 | 0.028 | 5 | 2 | C1,C8,C10,C11,N13,O15 |
| C2O1N3 | 0.012 | 1 | 0 | C10,C11,N12,N13,N14,O15 |
| C3O1N2 | 0.008 | 3 | 2 | C6,C9,C11,N13,N14,O15 |
| C3O1N2 | 0.008 | 3 | 2 | C7,C9,C11,N13,N14,O15 |
| C3O1N2 | 0.008 | 3 | 0 | C1,C8,C11,N13,N14,O15 |
| C3O1N2 | 0.008 | 3 | 1 | C8,C10,C11,N12,N14,O15 |
| C3O1N2 | 0.008 | 3 | 1 | C8,C10,C11,N12,N13,O15 |
| C3O1N2 | 0.008 | 3 | 1 | C9,C10,C11,N12,N14,O15 |
| C4N2 | 0.051 | 7 | 2 | C1,C8,C10,C11,N12,N14 |
| C4N2 | 0.051 | 7 | 2 | C1,C8,C10,C11,N12,N13 |
| C3N3 | 0.031 | 5 | 0 | C1,C8,C10,N12,N13,N14 |